N-Butyl-1,3,4-thiadiazole-2,5-diamine
TL;DR: N-Butyl-1,3,4-thiadiazole-2,5-diamine (CAS 89774-01-6) is a chemical compound with molecular formula C6H12N4S and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-butyl-1,3,4-thiadiazole-2,5-diamine
Also Known As: 2-N-butyl-1,3,4-thiadiazole-2,5-diamine, N-BUTYL-1,3,4-THIADIAZOLE-2,5-DIAMINE, N-butyl-[1,3,4]thiadiazole-2,5-diamine, n-(5-amino-1,3,4-thiadiazol-2-yl)-n-butylamine, N~2~-Butyl-1,3,4-thiadiazole-2,5-diamine
| Molecular Formula | C6H12N4S |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07826 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 89774-01-6 |
|---|---|
| SMILES | CCCCNC1=NN=C(S1)N |
| InChIKey | APWPVWFOIBNRMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Butyl-1,3,4-thiadiazole-2,5-diamine (CAS 89774-01-6), with molecular formula C6H12N4S and molecular weight 172.08 g/mol. IUPAC: 2-N-butyl-1,3,4-thiadiazole-2,5-diamine.
Chemical Property Profile of N-Butyl-1,3,4-thiadiazole-2,5-diamine
Property Insights of N-Butyl-1,3,4-thiadiazole-2,5-diamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-1,3,4-thiadiazole-2,5-diamine. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl-1,3,4-thiadiazole-2,5-diamine. Following Lipinski's Rule of Five, N-Butyl-1,3,4-thiadiazole-2,5-diamine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Butyl-1,3,4-thiadiazole-2,5-diamine?
The CAS number of N-Butyl-1,3,4-thiadiazole-2,5-diamine is 89774-01-6.
What is the molecular formula of N-Butyl-1,3,4-thiadiazole-2,5-diamine?
The molecular formula of N-Butyl-1,3,4-thiadiazole-2,5-diamine is C6H12N4S.
What is the molecular weight of N-Butyl-1,3,4-thiadiazole-2,5-diamine?
The molecular weight of N-Butyl-1,3,4-thiadiazole-2,5-diamine is 172.08 g/mol.
Where can I buy N-Butyl-1,3,4-thiadiazole-2,5-diamine?
You can request a quote for N-Butyl-1,3,4-thiadiazole-2,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-1,3,4-thiadiazole-2,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-1,3,4-thiadiazole-2,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.